SCHEMBL216006

SCHEMBL216006

COC(=O)c1ccc2c(c1)n(-c1ccccn1)n1c(=O)c3cnc(SC)nc3nc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.36
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC11A2 P49281 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL219275 0.93 POLB (0.40) POLBTSHRGAATP53KDM4E
SCHEMBL188869 0.86 F2RL3 (0.36) TSHRKDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL188536 0.86 MEN1 (0.36) POLBGAAKDM4EALDH1A1LMNA
SCHEMBL189117 0.86 POLB (0.39) POLBTSHRGAAKDM4EL3MBTL1
SCHEMBL2875942 0.85 MEN1 (0.37) POLBGAAMEN1KMT2A
SCHEMBL219010 0.85 MEN1 (0.37) POLBGAAALDH1A1HSD17B10MAPT
SCHEMBL215643 0.84 TSHR (0.35) POLBTSHRGAATP53KDM4E
SCHEMBL188485 0.84 MEN1 (0.40) POLBGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL2877876 0.83 SLC22A12 (0.35) MEN1KMT2A
SCHEMBL216705 0.83 PPARG (0.36) GAAKDM4EALOX15ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK POLB 676/4885TSHR 1156/4885GAA 3616/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.